3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine

C21H22FN9O — CID 66551704

IUPAC3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1
InChIInChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28)
InChIKeyAWBZWMFDDAZDBC-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.21
Rot. Bonds7

About 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine

3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66551704) has the molecular formula C21H22FN9O and a molecular weight of 435.47 g/mol. Its IUPAC name is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66551704
Molecular FormulaC21H22FN9O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1
InChIInChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28)
InChIKeyAWBZWMFDDAZDBC-UHFFFAOYSA-N
XLogP2.21
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 66551704) is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1.
What is the InChIKey of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AWBZWMFDDAZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28).
What are the key properties of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 435.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66551704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).